CID 70522770

2-(2-methylazetidin-2-yl)acetic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CCN1)CC(=O)O
InChI
InChI=1S/C6H11NO2/c1-6(2-3-7-6)4-5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKey
RQTWJKPILUJGHX-UHFFFAOYSA-N
Compound name
2-(2-methylazetidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 129.2
[M+Na]+ 152.06820 134.6
[M-H]- 128.07170 128.8
[M+NH4]+ 147.11280 143.8
[M+K]+ 168.04214 136.4
[M+H-H2O]+ 112.07624 120.0
[M+HCOO]- 174.07718 146.6
[M+CH3COO]- 188.09283 169.8
[M+Na-2H]- 150.05365 134.5
[M]+ 129.07843 134.8
[M]- 129.07953 134.8
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