CID 12379091

1-(methylamino)hex-5-en-2-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CNCC(CCC=C)O
InChI
InChI=1S/C7H15NO/c1-3-4-5-7(9)6-8-2/h3,7-9H,1,4-6H2,2H3
InChIKey
NMSFGMRSYVKVKS-UHFFFAOYSA-N
Compound name
1-(methylamino)hex-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 130.5
[M+Na]+ 152.104588 136.0
[M-H]- 128.108094 129.2
[M+NH4]+ 147.149193 151.6
[M+K]+ 168.078528 134.9
[M+H-H2O]+ 112.112630 125.7
[M+HCOO]- 174.113571 152.8
[M+CH3COO]- 188.129221 174.2
[M+Na-2H]- 150.090036 135.4
[M]+ 129.11482142 129.4
[M]- 129.11591858 129.4
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

No patent data available for this compound.