CID 24315

7665-88-5

Structural Information

Molecular Formula
C11H21N
SMILES
CCCCCC(C)N(C)CC#C
InChI
InChI=1S/C11H21N/c1-5-7-8-9-11(3)12(4)10-6-2/h2,11H,5,7-10H2,1,3-4H3
InChIKey
VNEMYKBWMWWZIU-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-ynylheptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

167.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 140.0
[M+Na]+ 190.156618 146.9
[M-H]- 166.160124 140.4
[M+NH4]+ 185.201223 158.8
[M+K]+ 206.130558 145.9
[M+H-H2O]+ 150.164660 128.5
[M+HCOO]- 212.165601 157.2
[M+CH3COO]- 226.181251 197.2
[M+Na-2H]- 188.142066 142.5
[M]+ 167.16685142 136.9
[M]- 167.16794858 136.9
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