CID 2849426

91417-81-1

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CC(=NC1)NCCCC(=O)O
InChI
InChI=1S/C8H14N2O2/c11-8(12)4-2-6-10-7-3-1-5-9-7/h1-6H2,(H,9,10)(H,11,12)
InChIKey
QULCKHMPMVBGSB-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-2H-pyrrol-5-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 137.8
[M+Na]+ 193.094748 143.1
[M-H]- 169.098254 138.2
[M+NH4]+ 188.139353 157.4
[M+K]+ 209.068688 141.8
[M+H-H2O]+ 153.102790 131.1
[M+HCOO]- 215.103731 159.8
[M+CH3COO]- 229.119381 176.9
[M+Na-2H]- 191.080196 141.8
[M]+ 170.10498142 135.8
[M]- 170.10607858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.