CID 12277

Di-sec-butylamine

Structural Information

Molecular Formula
C8H19N
SMILES
CCC(C)NC(C)CC
InChI
InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3
InChIKey
OBYVIBDTOCAXSN-UHFFFAOYSA-N
Compound name
N-butan-2-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

12034
Patents

129.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.159026 133.4
[M+Na]+ 152.140968 138.4
[M-H]- 128.144474 133.4
[M+NH4]+ 147.185573 155.3
[M+K]+ 168.114908 138.6
[M+H-H2O]+ 112.149010 128.5
[M+HCOO]- 174.149951 155.5
[M+CH3COO]- 188.165601 179.8
[M+Na-2H]- 150.126416 137.0
[M]+ 129.15120142 133.2
[M]- 129.15229858 133.2
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