CID 21109691

912454-49-0

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(CN)(C1CCC1)O
InChI
InChI=1S/C7H15NO/c1-7(9,5-8)6-3-2-4-6/h6,9H,2-5,8H2,1H3
InChIKey
XWXWGCBUWGYOKT-UHFFFAOYSA-N
Compound name
1-amino-2-cyclobutylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

129.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.7
[M+Na]+ 152.104588 133.8
[M-H]- 128.108094 131.1
[M+NH4]+ 147.149193 143.9
[M+K]+ 168.078528 135.8
[M+H-H2O]+ 112.112630 119.7
[M+HCOO]- 174.113571 148.9
[M+CH3COO]- 188.129221 175.5
[M+Na-2H]- 150.090036 135.0
[M]+ 129.11482142 134.3
[M]- 129.11591858 134.3
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

patents stripe