CID 3015773

3-methylpentan-2-amine hydrochloride

Structural Information

Molecular Formula
C6H15N
SMILES
CCC(C)C(C)N
InChI
InChI=1S/C6H15N/c1-4-5(2)6(3)7/h5-6H,4,7H2,1-3H3
InChIKey
ZFAGOADKDXXTSV-UHFFFAOYSA-N
Compound name
3-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1437
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 124.5
[M+Na]+ 124.10967 130.4
[M-H]- 100.11317 124.5
[M+NH4]+ 119.15427 147.3
[M+K]+ 140.08361 130.8
[M+H-H2O]+ 84.117710 120.0
[M+HCOO]- 146.11865 146.7
[M+CH3COO]- 160.13430 173.0
[M+Na-2H]- 122.09512 128.2
[M]+ 101.11990 122.6
[M]- 101.12100 122.6
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