CID 21935217

1-(2-methylpropyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)CN1CC(C1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-6(2)3-9-4-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
NWSZTVOWVMKPDB-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.11028 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.7
[M+Na]+ 180.09950 141.5
[M-H]- 156.10300 137.4
[M+NH4]+ 175.14410 149.2
[M+K]+ 196.07344 144.1
[M+H-H2O]+ 140.10754 125.9
[M+HCOO]- 202.10848 154.0
[M+CH3COO]- 216.12413 180.6
[M+Na-2H]- 178.08495 138.6
[M]+ 157.10973 144.3
[M]- 157.11083 144.3
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