CID 14222

Triisobutylamine

Structural Information

Molecular Formula
C12H27N
SMILES
CC(C)CN(CC(C)C)CC(C)C
InChI
InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKey
IIFFFBSAXDNJHX-UHFFFAOYSA-N
Compound name
2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

13125
Patents

185.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.22164 151.6
[M+Na]+ 208.20358 155.1
[M-H]- 184.20708 152.6
[M+NH4]+ 203.24818 172.0
[M+K]+ 224.17752 156.1
[M+H-H2O]+ 168.21162 145.9
[M+HCOO]- 230.21256 172.0
[M+CH3COO]- 244.22821 196.4
[M+Na-2H]- 206.18903 151.1
[M]+ 185.21381 153.7
[M]- 185.21491 153.7
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