CID 140079175

Rhp dipeptide

Structural Information

Molecular Formula
C11H21N5O4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C11H21N5O4/c12-7(2-1-3-15-11(13)14)9(18)16-5-6(17)4-8(16)10(19)20/h6-8,17H,1-5,12H2,(H,19,20)(H4,13,14,15)/t6-,7+,8+/m1/s1
InChIKey
MRSWIKOMENDNCQ-CSMHCCOUSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15936 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.16664 165.5
[M+Na]+ 310.14858 167.2
[M-H]- 286.15208 164.6
[M+NH4]+ 305.19318 178.3
[M+K]+ 326.12252 166.7
[M+H-H2O]+ 270.15662 157.5
[M+HCOO]- 332.15756 184.0
[M+CH3COO]- 346.17321 208.7
[M+Na-2H]- 308.13403 160.8
[M]+ 287.15881 158.1
[M]- 287.15991 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.