CID 24257

7615-84-1

Structural Information

Molecular Formula
C12H23N
SMILES
CC(C)CCCC(C)N(C)CC#C
InChI
InChI=1S/C12H23N/c1-6-10-13(5)12(4)9-7-8-11(2)3/h1,11-12H,7-10H2,2-5H3
InChIKey
CSWKXYFXOIHLGP-UHFFFAOYSA-N
Compound name
N,6-dimethyl-N-prop-2-ynylheptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 145.1
[M+Na]+ 204.172258 151.4
[M-H]- 180.175764 145.4
[M+NH4]+ 199.216863 163.4
[M+K]+ 220.146198 150.6
[M+H-H2O]+ 164.180300 133.6
[M+HCOO]- 226.181241 161.2
[M+CH3COO]- 240.196891 200.6
[M+Na-2H]- 202.157706 145.9
[M]+ 181.18249142 141.7
[M]- 181.18358858 141.7
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

No patent data available for this compound.