CID 9814075

Pr dipeptide

Structural Information

Molecular Formula
C11H21N5O3
SMILES
C1CC(NC1)C(=O)NC(CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)
InChIKey
HMNSRTLZAJHSIK-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

271.16443 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17171 162.5
[M+Na]+ 294.15365 162.5
[M-H]- 270.15715 161.3
[M+NH4]+ 289.19825 175.6
[M+K]+ 310.12759 161.5
[M+H-H2O]+ 254.16169 153.9
[M+HCOO]- 316.16263 181.4
[M+CH3COO]- 330.17828 204.1
[M+Na-2H]- 292.13910 160.0
[M]+ 271.16388 153.9
[M]- 271.16498 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe