CID 115659

2-pentylamine, 2-ethynyl-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C8H15N
SMILES
CC(C)CC(C)(C#C)N
InChI
InChI=1S/C8H15N/c1-5-8(4,9)6-7(2)3/h1,7H,6,9H2,2-4H3
InChIKey
XBHKMNOQOHZJIV-UHFFFAOYSA-N
Compound name
3,5-dimethylhex-1-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

125.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 132.1
[M+Na]+ 148.109668 140.2
[M-H]- 124.113174 131.5
[M+NH4]+ 143.154273 151.7
[M+K]+ 164.083608 139.0
[M+H-H2O]+ 108.117710 122.0
[M+HCOO]- 170.118651 147.8
[M+CH3COO]- 184.134301 185.4
[M+Na-2H]- 146.095116 135.8
[M]+ 125.11990142 125.4
[M]- 125.12099858 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