CID 13247954

2,2-dimethylpentan-3-amine

Structural Information

Molecular Formula
C7H17N
SMILES
CCC(C(C)(C)C)N
InChI
InChI=1S/C7H17N/c1-5-6(8)7(2,3)4/h6H,5,8H2,1-4H3
InChIKey
PCQKMDBZOIYAKY-UHFFFAOYSA-N
Compound name
2,2-dimethylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
Patents

115.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.143376 128.2
[M+Na]+ 138.125318 134.5
[M-H]- 114.128824 128.2
[M+NH4]+ 133.169923 150.7
[M+K]+ 154.099258 134.5
[M+H-H2O]+ 98.133360 124.2
[M+HCOO]- 160.134301 149.5
[M+CH3COO]- 174.149951 174.8
[M+Na-2H]- 136.110766 133.2
[M]+ 115.13555142 126.8
[M]- 115.13664858 126.8
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