CID 3072560

N-(2-butyl)-n-methylpropargylamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1491
Patents

125.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 127.9
[M+Na]+ 148.10967 135.9
[M-H]- 124.11317 128.7
[M+NH4]+ 143.15427 148.2
[M+K]+ 164.08361 135.6
[M+H-H2O]+ 108.11771 117.0
[M+HCOO]- 170.11865 146.0
[M+CH3COO]- 184.13430 189.1
[M+Na-2H]- 146.09512 131.8
[M]+ 125.11990 123.8
[M]- 125.12100 123.8
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