CID 61157357

Hydroxyprolyl-isoleucine

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CCC(C)C(C(=O)O)NC(=O)C1CC(CN1)O
InChI
InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKey
JKCPTRCNCMWJJG-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.1423 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 158.8
[M+Na]+ 267.13152 161.2
[M-H]- 243.13502 156.2
[M+NH4]+ 262.17612 173.7
[M+K]+ 283.10546 159.8
[M+H-H2O]+ 227.13956 152.5
[M+HCOO]- 289.14050 172.9
[M+CH3COO]- 303.15615 189.1
[M+Na-2H]- 265.11697 155.2
[M]+ 244.14175 153.4
[M]- 244.14285 153.4
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