CID 165745372

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC12CC(C1)(C(O2)CO)CN
InChI
InChI=1S/C8H15NO2/c1-7-3-8(4-7,5-9)6(2-10)11-7/h6,10H,2-5,9H2,1H3
InChIKey
JYMCMZQMCGOTDF-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 140.0
[M+Na]+ 180.099498 146.5
[M-H]- 156.103004 140.5
[M+NH4]+ 175.144103 163.1
[M+K]+ 196.073438 147.8
[M+H-H2O]+ 140.107540 134.6
[M+HCOO]- 202.108481 156.7
[M+CH3COO]- 216.124131 181.4
[M+Na-2H]- 178.084946 148.7
[M]+ 157.10973142 152.3
[M]- 157.11082858 152.3
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.