CID 12450576

57031-57-9

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(C)C(=O)/C=C/N(C)C
InChI
InChI=1S/C9H17NO/c1-9(2,3)8(11)6-7-10(4)5/h6-7H,1-5H3/b7-6+
InChIKey
AOJPVISQKIUQMZ-VOTSOKGWSA-N
Compound name
(E)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

155.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.0
[M+Na]+ 178.120228 142.4
[M-H]- 154.123734 137.9
[M+NH4]+ 173.164833 157.8
[M+K]+ 194.094168 142.9
[M+H-H2O]+ 138.128270 131.5
[M+HCOO]- 200.129211 158.6
[M+CH3COO]- 214.144861 184.5
[M+Na-2H]- 176.105676 140.6
[M]+ 155.13046142 137.7
[M]- 155.13155858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe