CID 129999209

1-{3-oxabicyclo[3.2.0]heptan-6-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2COCC2C1CN
InChI
InChI=1S/C7H13NO/c8-2-5-1-6-3-9-4-7(5)6/h5-7H,1-4,8H2
InChIKey
ZVSQWMXCBBMKPC-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.2.0]heptan-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 120.8
[M+Na]+ 150.08894 126.1
[M-H]- 126.09244 125.3
[M+NH4]+ 145.13354 137.5
[M+K]+ 166.06288 129.1
[M+H-H2O]+ 110.09698 111.4
[M+HCOO]- 172.09792 141.6
[M+CH3COO]- 186.11357 176.6
[M+Na-2H]- 148.07439 126.9
[M]+ 127.09917 127.0
[M]- 127.10027 127.0
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.