CID 6993111
H-val-gly-oh
Structural Information
- Molecular Formula
- C7H14N2O3
- SMILES
- CC(C)[C@@H](C(=O)NCC(=O)O)N
- InChI
- InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
- InChIKey
- IOUPEELXVYPCPG-LURJTMIESA-N
- Compound name
- 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.10773 | 140.4 |
[M+Na]+ | 197.08967 | 144.6 |
[M-H]- | 173.09317 | 138.7 |
[M+NH4]+ | 192.13427 | 158.6 |
[M+K]+ | 213.06361 | 145.0 |
[M+H-H2O]+ | 157.09771 | 134.8 |
[M+HCOO]- | 219.09865 | 160.8 |
[M+CH3COO]- | 233.11430 | 184.1 |
[M+Na-2H]- | 195.07512 | 140.5 |
[M]+ | 174.09990 | 137.6 |
[M]- | 174.10100 | 137.6 |