CID 123199

N,n,2,3,3-pentamethylbutan-1-amine

Structural Information

Molecular Formula
C9H21N
SMILES
CC(CN(C)C)C(C)(C)C
InChI
InChI=1S/C9H21N/c1-8(7-10(5)6)9(2,3)4/h8H,7H2,1-6H3
InChIKey
SERGPIDKHQLUHT-UHFFFAOYSA-N
Compound name
N,N,2,3,3-pentamethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

143.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.174676 135.9
[M+Na]+ 166.156618 141.6
[M-H]- 142.160124 137.7
[M+NH4]+ 161.201223 158.4
[M+K]+ 182.130558 142.9
[M+H-H2O]+ 126.164660 131.4
[M+HCOO]- 188.165601 157.8
[M+CH3COO]- 202.181251 185.3
[M+Na-2H]- 164.142066 140.4
[M]+ 143.16685142 137.6
[M]- 143.16794858 137.6
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

patents stripe