CID 131068591

(3-amino-4,4-dimethyloxolan-3-yl)methanol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(COCC1(CO)N)C
InChI
InChI=1S/C7H15NO2/c1-6(2)4-10-5-7(6,8)3-9/h9H,3-5,8H2,1-2H3
InChIKey
LQHWVPUBAZYYJL-UHFFFAOYSA-N
Compound name
(3-amino-4,4-dimethyloxolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 128.4
[M+Na]+ 168.099498 136.0
[M-H]- 144.103004 131.2
[M+NH4]+ 163.144103 153.2
[M+K]+ 184.073438 136.0
[M+H-H2O]+ 128.107540 125.5
[M+HCOO]- 190.108481 149.8
[M+CH3COO]- 204.124131 172.1
[M+Na-2H]- 166.084946 135.3
[M]+ 145.10973142 126.4
[M]- 145.11082858 126.4
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.