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]+ 182.19032 145.1
[M+Na]+ 204.17226 151.4
[M-H]- 180.17576 145.4
[M+NH4]+ 199.21686 163.4
[M+K]+ 220.14620 150.6
[M+H-H2O]+ 164.18030 133.6
[M+HCOO]- 226.18124 161.2
[M+CH3COO]- 240.19689 200.6
[M+Na-2H]- 202.15771 145.9
[M]+ 181.18249 141.7
[M]- 181.18359 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.