CID 154845874

3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN(C)CC1CC(C1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-9(2)5-6-3-7(4-6)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
RZNHJQDXUITPIG-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.3
[M+Na]+ 180.099498 140.3
[M-H]- 156.103004 139.6
[M+NH4]+ 175.144103 150.2
[M+K]+ 196.073438 143.9
[M+H-H2O]+ 140.107540 125.4
[M+HCOO]- 202.108481 157.1
[M+CH3COO]- 216.124131 185.3
[M+Na-2H]- 178.084946 138.6
[M]+ 157.10973142 144.2
[M]- 157.11082858 144.2
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