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]+ 130.12265 129.6
[M+Na]+ 152.10459 136.1
[M-H]- 128.10809 129.6
[M+NH4]+ 147.14919 151.4
[M+K]+ 168.07853 135.9
[M+H-H2O]+ 112.11263 125.4
[M+HCOO]- 174.11357 151.4
[M+CH3COO]- 188.12922 176.5
[M+Na-2H]- 150.09004 134.7
[M]+ 129.11482 129.0
[M]- 129.11592 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