CID 138732

3-dibutylamino-1-propyne

Structural Information

Molecular Formula
C11H21N
SMILES
CCCCN(CCCC)CC#C
InChI
InChI=1S/C11H21N/c1-4-7-10-12(9-6-3)11-8-5-2/h3H,4-5,7-11H2,1-2H3
InChIKey
XTEBRELWTGWYDE-UHFFFAOYSA-N
Compound name
N-butyl-N-prop-2-ynylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

167.1674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 138.6
[M+Na]+ 190.156618 145.7
[M-H]- 166.160124 138.9
[M+NH4]+ 185.201223 157.5
[M+K]+ 206.130558 144.4
[M+H-H2O]+ 150.164660 127.1
[M+HCOO]- 212.165601 156.8
[M+CH3COO]- 226.181251 196.5
[M+Na-2H]- 188.142066 142.3
[M]+ 167.16685142 136.2
[M]- 167.16794858 136.2
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