CID 9857010

L-histidine,l-lysyl-

Structural Information

Molecular Formula
C12H21N5O3
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C12H21N5O3/c13-4-2-1-3-9(14)11(18)17-10(12(19)20)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1
InChIKey
IGRMTQMIDNDFAA-UWVGGRQHSA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1794
Patents

283.16443 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17171 166.2
[M+Na]+ 306.15365 167.8
[M-H]- 282.15715 163.0
[M+NH4]+ 301.19825 177.5
[M+K]+ 322.12759 165.8
[M+H-H2O]+ 266.16169 157.2
[M+HCOO]- 328.16263 183.8
[M+CH3COO]- 342.17828 202.7
[M+Na-2H]- 304.13910 164.3
[M]+ 283.16388 161.0
[M]- 283.16498 161.0
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