CID 45489883

N,n,3-trimethylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1(CCNC1)N(C)C
InChI
InChI=1S/C7H16N2/c1-7(9(2)3)4-5-8-6-7/h8H,4-6H2,1-3H3
InChIKey
BHGAPHJDUGWGCK-UHFFFAOYSA-N
Compound name
N,N,3-trimethylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

128.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 128.7
[M+Na]+ 151.120568 134.6
[M-H]- 127.124074 130.7
[M+NH4]+ 146.165173 152.8
[M+K]+ 167.094508 134.5
[M+H-H2O]+ 111.128610 123.2
[M+HCOO]- 173.129551 150.5
[M+CH3COO]- 187.145201 174.0
[M+Na-2H]- 149.106016 133.9
[M]+ 128.13080142 125.1
[M]- 128.13189858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe