CID 17825054

N-methylhex-5-en-1-amine

Structural Information

Molecular Formula
C7H15N
SMILES
CNCCCCC=C
InChI
InChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h3,8H,1,4-7H2,2H3
InChIKey
KKIMETYRXLWWSD-UHFFFAOYSA-N
Compound name
N-methylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.127726 125.9
[M+Na]+ 136.109668 132.1
[M-H]- 112.113174 126.0
[M+NH4]+ 131.154273 148.5
[M+K]+ 152.083608 131.1
[M+H-H2O]+ 96.117710 121.1
[M+HCOO]- 158.118651 150.5
[M+CH3COO]- 172.134301 174.2
[M+Na-2H]- 134.095116 132.7
[M]+ 113.11990142 126.0
[M]- 113.12099858 126.0
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