CID 81251442

1-[(ethylamino)methyl]cyclobutan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CCNCC1(CCC1)O
InChI
InChI=1S/C7H15NO/c1-2-8-6-7(9)4-3-5-7/h8-9H,2-6H2,1H3
InChIKey
GIRVJYDMKJVHSX-UHFFFAOYSA-N
Compound name
1-(ethylaminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.1
[M+Na]+ 152.10459 133.7
[M-H]- 128.10809 131.3
[M+NH4]+ 147.14919 145.6
[M+K]+ 168.07853 135.8
[M+H-H2O]+ 112.11263 120.0
[M+HCOO]- 174.11357 150.5
[M+CH3COO]- 188.12922 175.5
[M+Na-2H]- 150.09004 136.0
[M]+ 129.11482 135.6
[M]- 129.11592 135.6
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