CID 17860889

440100-10-7

Structural Information

Molecular Formula
C5H12N2
SMILES
C1CC(C1)(CN)N
InChI
InChI=1S/C5H12N2/c6-4-5(7)2-1-3-5/h1-4,6-7H2
InChIKey
XCJMSKRFAJQWSS-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

100.10005 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 122.7
[M+Na]+ 123.08927 127.6
[M-H]- 99.092774 125.4
[M+NH4]+ 118.13387 140.0
[M+K]+ 139.06321 129.9
[M+H-H2O]+ 83.097310 113.1
[M+HCOO]- 145.09825 145.6
[M+CH3COO]- 159.11390 173.6
[M+Na-2H]- 121.07472 129.0
[M]+ 100.09950 126.0
[M]- 100.10060 126.0
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