CID 54516059

Hept-6-en-2-amine

Structural Information

Molecular Formula
C7H15N
SMILES
CC(CCCC=C)N
InChI
InChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3,7H,1,4-6,8H2,2H3
InChIKey
AGBVYRPRJCPFPY-UHFFFAOYSA-N
Compound name
hept-6-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

113.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 127.1
[M+Na]+ 136.10967 133.1
[M-H]- 112.11317 126.8
[M+NH4]+ 131.15427 149.4
[M+K]+ 152.08361 132.2
[M+H-H2O]+ 96.117710 122.4
[M+HCOO]- 158.11865 150.1
[M+CH3COO]- 172.13430 174.2
[M+Na-2H]- 134.09512 131.6
[M]+ 113.11990 125.6
[M]- 113.12100 125.6
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