CID 4255656

1-ethyl-n,n-diisopropylpropylamine

Structural Information

Molecular Formula
C11H25N
SMILES
CCC(CC)N(C(C)C)C(C)C
InChI
InChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3
InChIKey
BDKMTSFYPWEJRE-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

171.1987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.20598 146.9
[M+Na]+ 194.18792 150.7
[M-H]- 170.19142 148.1
[M+NH4]+ 189.23252 167.8
[M+K]+ 210.16186 152.0
[M+H-H2O]+ 154.19596 141.4
[M+HCOO]- 216.19690 167.6
[M+CH3COO]- 230.21255 193.4
[M+Na-2H]- 192.17337 146.9
[M]+ 171.19815 148.6
[M]- 171.19925 148.6
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