CID 68310087

2-(3-aminocyclobutyl)propan-2-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)(C1CC(C1)N)O
InChI
InChI=1S/C7H15NO/c1-7(2,9)5-3-6(8)4-5/h5-6,9H,3-4,8H2,1-2H3
InChIKey
YIHPWULVQBWRRH-UHFFFAOYSA-N
Compound name
2-(3-aminocyclobutyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

129.11537 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.8
[M+Na]+ 152.104588 134.9
[M-H]- 128.108094 131.7
[M+NH4]+ 147.149193 144.5
[M+K]+ 168.078528 136.9
[M+H-H2O]+ 112.112630 120.2
[M+HCOO]- 174.113571 149.0
[M+CH3COO]- 188.129221 176.6
[M+Na-2H]- 150.090036 134.4
[M]+ 129.11482142 134.8
[M]- 129.11591858 134.8
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

patents stripe