CID 197760

1-butanamine, n,n,3-trimethyl-

Structural Information

Molecular Formula
C7H17N
SMILES
CC(C)CCN(C)C
InChI
InChI=1S/C7H17N/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3
InChIKey
KOOQJINBDNZUTB-UHFFFAOYSA-N
Compound name
N,N,3-trimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1191
Patents

115.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 127.8
[M+Na]+ 138.12532 133.7
[M-H]- 114.12882 129.5
[M+NH4]+ 133.16992 151.1
[M+K]+ 154.09926 135.1
[M+H-H2O]+ 98.133360 122.9
[M+HCOO]- 160.13430 151.8
[M+CH3COO]- 174.14995 179.6
[M+Na-2H]- 136.11077 132.6
[M]+ 115.13555 129.3
[M]- 115.13665 129.3
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