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]+ 171.11281 137.8
[M+Na]+ 193.09475 143.1
[M-H]- 169.09825 138.2
[M+NH4]+ 188.13935 157.4
[M+K]+ 209.06869 141.8
[M+H-H2O]+ 153.10279 131.1
[M+HCOO]- 215.10373 159.8
[M+CH3COO]- 229.11938 176.9
[M+Na-2H]- 191.08020 141.8
[M]+ 170.10498 135.8
[M]- 170.10608 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.