CID 81176754

1-[(dimethylamino)methyl]cyclobutan-1-amine

Structural Information

Molecular Formula
C7H16N2
SMILES
CN(C)CC1(CCC1)N
InChI
InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3
InChIKey
OMTAOOUFJIYVKU-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 131.9
[M+Na]+ 151.120568 136.0
[M-H]- 127.124074 136.2
[M+NH4]+ 146.165173 149.0
[M+K]+ 167.094508 139.6
[M+H-H2O]+ 111.128610 121.7
[M+HCOO]- 173.129551 155.2
[M+CH3COO]- 187.145201 183.5
[M+Na-2H]- 149.106016 137.3
[M]+ 128.13080142 138.0
[M]- 128.13189858 138.0
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