CID 155977907

1-(aminomethyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1C2CC1(OCC2C(=O)O)CN
InChI
InChI=1S/C8H13NO3/c9-4-8-1-5(2-8)6(3-12-8)7(10)11/h5-6H,1-4,9H2,(H,10,11)
InChIKey
SMEAOJPQZRCLKV-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 144.7
[M+Na]+ 194.07876 148.6
[M-H]- 170.08226 142.6
[M+NH4]+ 189.12336 161.9
[M+K]+ 210.05270 151.8
[M+H-H2O]+ 154.08680 136.3
[M+HCOO]- 216.08774 156.1
[M+CH3COO]- 230.10339 185.6
[M+Na-2H]- 192.06421 154.4
[M]+ 171.08899 154.4
[M]- 171.09009 154.4
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

No patent data available for this compound.