CID 89153395

(4,4-dimethylpyrrolidin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1(CNCC1CN)C
InChI
InChI=1S/C7H16N2/c1-7(2)5-9-4-6(7)3-8/h6,9H,3-5,8H2,1-2H3
InChIKey
YTNNHLLAJGNGCE-UHFFFAOYSA-N
Compound name
(4,4-dimethylpyrrolidin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 128.8
[M+Na]+ 151.12057 135.4
[M-H]- 127.12407 129.1
[M+NH4]+ 146.16517 152.2
[M+K]+ 167.09451 133.5
[M+H-H2O]+ 111.12861 123.8
[M+HCOO]- 173.12955 149.4
[M+CH3COO]- 187.14520 170.9
[M+Na-2H]- 149.10602 133.0
[M]+ 128.13080 123.2
[M]- 128.13190 123.2
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