CID 9856242

Gamma-glutamylproline

Structural Information

Molecular Formula
C10H16N2O5
SMILES
C1C[C@H](N(C1)C(=O)CC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C10H16N2O5/c11-6(9(14)15)3-4-8(13)12-5-1-2-7(12)10(16)17/h6-7H,1-5,11H2,(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
VBCZKAGVUKCANO-BQBZGAKWSA-N
Compound name
(2S)-1-[(4S)-4-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.10593 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 155.0
[M+Na]+ 267.09515 158.4
[M-H]- 243.09865 153.4
[M+NH4]+ 262.13975 170.1
[M+K]+ 283.06909 157.7
[M+H-H2O]+ 227.10319 148.6
[M+HCOO]- 289.10413 170.7
[M+CH3COO]- 303.11978 189.3
[M+Na-2H]- 265.08060 151.5
[M]+ 244.10538 150.8
[M]- 244.10648 150.8
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

patents stripe