CID 176544741

(1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-3-yl)methanol

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C2CC1(OC2CO)CN
InChI
InChI=1S/C7H13NO2/c8-4-7-1-5(2-7)6(3-9)10-7/h5-6,9H,1-4,8H2
InChIKey
ROPBPPFRCDXTKR-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 133.4
[M+Na]+ 166.08386 139.2
[M-H]- 142.08736 133.7
[M+NH4]+ 161.12846 155.0
[M+K]+ 182.05780 141.3
[M+H-H2O]+ 126.09190 127.2
[M+HCOO]- 188.09284 150.6
[M+CH3COO]- 202.10849 178.8
[M+Na-2H]- 164.06931 141.7
[M]+ 143.09409 145.0
[M]- 143.09519 145.0
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.