CID 3072562

N-(1-butyl)-n-methylpropargylamine hydrochloride

Structural Information

Molecular Formula
C8H15N
SMILES
CCCCN(C)CC#C
InChI
InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h2H,4,6-8H2,1,3H3
InChIKey
NJBSAFGMLJQVNT-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-ynylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

125.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 126.6
[M+Na]+ 148.10967 134.8
[M-H]- 124.11317 127.4
[M+NH4]+ 143.15427 147.0
[M+K]+ 164.08361 134.2
[M+H-H2O]+ 108.11771 115.7
[M+HCOO]- 170.11865 145.7
[M+CH3COO]- 184.13430 188.3
[M+Na-2H]- 146.09512 131.8
[M]+ 125.11990 123.1
[M]- 125.12100 123.1
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