CID 641831

2,2-dimethylpent-4-en-1-amine hydrochloride

Structural Information

Molecular Formula
C7H15N
SMILES
CC(C)(CC=C)CN
InChI
InChI=1S/C7H15N/c1-4-5-7(2,3)6-8/h4H,1,5-6,8H2,2-3H3
InChIKey
BTTIKHRJTKRJFR-UHFFFAOYSA-N
Compound name
2,2-dimethylpent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

50
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 126.3
[M+Na]+ 136.10967 133.1
[M-H]- 112.11317 126.2
[M+NH4]+ 131.15427 148.8
[M+K]+ 152.08361 132.0
[M+H-H2O]+ 96.117710 122.3
[M+HCOO]- 158.11865 148.8
[M+CH3COO]- 172.13430 173.7
[M+Na-2H]- 134.09512 132.7
[M]+ 113.11990 125.0
[M]- 113.12100 125.0
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