CID 72207479

3-amino-1-methylcyclobutanecarboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CC(C1)N)C(=O)O
InChI
InChI=1S/C6H11NO2/c1-6(5(8)9)2-4(7)3-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
BGWPVFAAAKGBOU-UHFFFAOYSA-N
Compound name
3-amino-1-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

129.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 128.9
[M+Na]+ 152.06820 134.5
[M-H]- 128.07170 131.0
[M+NH4]+ 147.11280 145.1
[M+K]+ 168.04214 136.9
[M+H-H2O]+ 112.07624 120.0
[M+HCOO]- 174.07718 149.2
[M+CH3COO]- 188.09283 174.9
[M+Na-2H]- 150.05365 133.1
[M]+ 129.07843 134.3
[M]- 129.07953 134.3
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