CID 115011071

3-(aminomethyl)-3-methylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CC(C1)O)CN
InChI
InChI=1S/C6H13NO/c1-6(4-7)2-5(8)3-6/h5,8H,2-4,7H2,1H3
InChIKey
CAVVKWWXGNFWDC-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-3-methylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.5
[M+Na]+ 138.08894 131.4
[M-H]- 114.09244 127.7
[M+NH4]+ 133.13354 142.6
[M+K]+ 154.06288 133.4
[M+H-H2O]+ 98.096980 116.9
[M+HCOO]- 160.09792 146.6
[M+CH3COO]- 174.11357 172.9
[M+Na-2H]- 136.07439 131.2
[M]+ 115.09917 130.9
[M]- 115.10027 130.9
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.