CID 11829444

2,2-dimethylhex-5-en-1-amine

Structural Information

Molecular Formula
C8H17N
SMILES
CC(C)(CCC=C)CN
InChI
InChI=1S/C8H17N/c1-4-5-6-8(2,3)7-9/h4H,1,5-7,9H2,2-3H3
InChIKey
PPLTYXVBNYYDSB-UHFFFAOYSA-N
Compound name
2,2-dimethylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.9
[M+Na]+ 150.12532 137.3
[M-H]- 126.12882 130.7
[M+NH4]+ 145.16992 152.9
[M+K]+ 166.09926 135.9
[M+H-H2O]+ 110.13336 126.7
[M+HCOO]- 172.13430 153.1
[M+CH3COO]- 186.14995 176.7
[M+Na-2H]- 148.11077 136.7
[M]+ 127.13555 130.0
[M]- 127.13665 130.0
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