CID 19709

3,3-dimethylbutylamine

Structural Information

Molecular Formula
C6H15N
SMILES
CC(C)(C)CCN
InChI
InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3
InChIKey
GPWHFPWZAPOYNO-UHFFFAOYSA-N
Compound name
3,3-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5104
Patents

101.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.12773 123.4
[M+Na]+ 124.10967 130.4
[M-H]- 100.11317 123.5
[M+NH4]+ 119.15427 146.6
[M+K]+ 140.08361 130.2
[M+H-H2O]+ 84.117710 119.6
[M+HCOO]- 146.11865 146.1
[M+CH3COO]- 160.13430 170.9
[M+Na-2H]- 122.09512 130.3
[M]+ 101.11990 122.3
[M]- 101.12100 122.3
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