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
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 |