CID 12463571

5-methylhex-5-en-2-amine

Structural Information

Molecular Formula
C7H15N
SMILES
CC(CCC(=C)C)N
InChI
InChI=1S/C7H15N/c1-6(2)4-5-7(3)8/h7H,1,4-5,8H2,2-3H3
InChIKey
RGQPKWZHUHUZPW-UHFFFAOYSA-N
Compound name
5-methylhex-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 127.6
[M+Na]+ 136.10967 133.4
[M-H]- 112.11317 127.4
[M+NH4]+ 131.15427 149.9
[M+K]+ 152.08361 132.9
[M+H-H2O]+ 96.117710 123.0
[M+HCOO]- 158.11865 149.6
[M+CH3COO]- 172.13430 175.1
[M+Na-2H]- 134.09512 130.8
[M]+ 113.11990 125.4
[M]- 113.12100 125.4
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

patents stripe