CID 61158071

Hydroxyprolyl-valine

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)C(C(=O)O)NC(=O)C1CC(CN1)O
InChI
InChI=1S/C10H18N2O4/c1-5(2)8(10(15)16)12-9(14)7-3-6(13)4-11-7/h5-8,11,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
OBSIPTVJSOCDLZ-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.12666 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 154.4
[M+Na]+ 253.11588 157.2
[M-H]- 229.11938 151.9
[M+NH4]+ 248.16048 169.8
[M+K]+ 269.08982 156.0
[M+H-H2O]+ 213.12392 148.2
[M+HCOO]- 275.12486 168.8
[M+CH3COO]- 289.14051 186.1
[M+Na-2H]- 251.10133 151.2
[M]+ 230.12611 148.6
[M]- 230.12721 148.6
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