CID 165664014

2742659-52-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1C2CC(C2)(N1)CO
InChI
InChI=1S/C7H13NO/c1-5-6-2-7(3-6,4-9)8-5/h5-6,8-9H,2-4H2,1H3
InChIKey
IVUUTZVRLNQRKT-UHFFFAOYSA-N
Compound name
(3-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 134.7
[M+Na]+ 150.08894 141.5
[M-H]- 126.09244 132.5
[M+NH4]+ 145.13354 157.1
[M+K]+ 166.06288 141.6
[M+H-H2O]+ 110.09698 128.3
[M+HCOO]- 172.09792 149.8
[M+CH3COO]- 186.11357 146.8
[M+Na-2H]- 148.07439 141.7
[M]+ 127.09917 144.9
[M]- 127.10027 144.9
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.