CID 20607105

2839158-33-5

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC(C)(C)C(=O)CN
InChI
InChI=1S/C7H15NO/c1-4-7(2,3)6(9)5-8/h4-5,8H2,1-3H3
InChIKey
UYAZHGICXJADPZ-UHFFFAOYSA-N
Compound name
1-amino-3,3-dimethylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

129.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.6
[M+Na]+ 152.104588 136.1
[M-H]- 128.108094 129.6
[M+NH4]+ 147.149193 151.4
[M+K]+ 168.078528 135.9
[M+H-H2O]+ 112.112630 125.4
[M+HCOO]- 174.113571 151.4
[M+CH3COO]- 188.129221 176.5
[M+Na-2H]- 150.090036 134.7
[M]+ 129.11482142 129.0
[M]- 129.11591858 129.0
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